CHEBI:142723 - 3''-O-acetyl-ADP-D-ribose(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3''-O-acetyl-ADP-D-ribose(2−)
ChEBI ID CHEBI:142723
ChEBI ASCII Name 3''-O-acetyl-ADP-D-ribose(2-)
Definition A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 3''-O-acetyl-ADP-D-ribose; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C17H23N5O15P2
Net Charge -2
Average Mass 599.337
Monoisotopic Mass 599.06769
InChI InChI=1S/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
InChIKey HNHCIVXQBMBKPQ-YDKGJHSESA-L
SMILES O1C(O)[C@H](O)[C@H](OC(C)=O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-]
ChEBI Ontology
Outgoing 3''-O-acetyl-ADP-D-ribose(2−) (CHEBI:142723) has functional parent ADP-D-ribose(2−) (CHEBI:57967)
3''-O-acetyl-ADP-D-ribose(2−) (CHEBI:142723) is a nucleotide-sugar oxoanion (CHEBI:59737)
Synonyms Sources
3''-O-acetyl-ADP-D-ribose UniProt
3OAADPr SUBMITTER
Manual Xref Database
CPD-14763 MetaCyc accession
View more database links
Citation Type Source
11893743 PubMed citation SUBMITTER